(5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C18H15N5O4S — CID 58053321

IUPAC(5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4ccsc4n3)NC(=O)NC1=O)C2
InChIInChI=1S/C18H15N5O4S/c1-27-11-3-2-10-7-23(14(24)12(10)6-11)9-18(15(25)20-16(26)21-18)13-8-22-4-5-28-17(22)19-13/h2-6,8H,7,9H2,1H3,(H2,20,21,25,26)/t18-/m0/s1
InChIKeyJQHGTDFKNLFURA-SFHVURJKSA-N
MW397.42 g/mol
LogP1.10
Rot. Bonds4

About (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58053321) has the molecular formula C18H15N5O4S and a molecular weight of 397.42 g/mol. Its IUPAC name is (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID58053321
Molecular FormulaC18H15N5O4S
Molecular Weight397.42 g/mol
Exact Mass397.08
IUPAC Name(5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4ccsc4n3)NC(=O)NC1=O)C2
InChIInChI=1S/C18H15N5O4S/c1-27-11-3-2-10-7-23(14(24)12(10)6-11)9-18(15(25)20-16(26)21-18)13-8-22-4-5-28-17(22)19-13/h2-6,8H,7,9H2,1H3,(H2,20,21,25,26)/t18-/m0/s1
InChIKeyJQHGTDFKNLFURA-SFHVURJKSA-N
XLogP1.10
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-Methoxy-1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)-N-[4-(Piperazin-1-Yl)pyridin-3-Yl]-1,3-Thiazole-4-Carboxamide
CID 24951610
(5S)-5-imidazo[1,2-a]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561223
(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053577
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazole-4-carboxamide
CID 59332156
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332270
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethynyl]imidazolidine-2,4-dione
CID 46199317
(5R)-5-[2-[5-(2-amino-1,3-thiazol-4-yl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58042200
3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 3238659
(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 56963903
5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70684410
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-4-ium-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78225445
N-(imidazo[2,1-b]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 5310332

Frequently Asked Questions

What is the IUPAC name of (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58053321) is (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4ccsc4n3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JQHGTDFKNLFURA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15N5O4S/c1-27-11-3-2-10-7-23(14(24)12(10)6-11)9-18(15(25)20-16(26)21-18)13-8-22-4-5-28-17(22)19-13/h2-6,8H,7,9H2,1H3,(H2,20,21,25,26)/t18-/m0/s1.
What are the key properties of (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 397.42 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58053321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).